Re: [OpenBabel-scripting] text representation of SMARTS objects?

[Andrew F. <fa...@mo...>]

and, as an aside, it doesn't help that to access the base openbabel methods from a pybel mol object you use Pybel.Mol.OBMol, but to access the openbabel smarts methods, you need to use Pybel.Smarts.obsmarts.  :-)

On Jul 7, 2011, at 2:39 PM, Geoffrey Hutchison wrote:

>> Is there an easy way to generate a printable representation of a SMARTS query object from the object?  I guess I could carry the string representation that the query was generated from around with the query in a tuple, but I'm hoping to find something a little cleaner.
> 
> Use the GetSMARTS() method?
> 
> http://openbabel.org/api/2.3/classOpenBabel_1_1OBSmartsPattern.shtml#a52d9a732c39944ff60d06aeacb96617c
> 
> Hope that helps,
> -Geoff